SCHEMBL4442908

SCHEMBL4442908

O=C(O)C12CCCC(C(=O)O)(C1)C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.37
FFAR3 O14843 1/20 0.36
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C1 Q04828 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL893472 0.94 GRM1 (0.37) GRM1FFAR3CYP2C19SMN1; SMN2LMNA
SCHEMBL10151921 0.91 GRM1 (0.36) GRM1FFAR3CYP2C19SMN1; SMN2LMNA
SCHEMBL16933182 0.87 GRM1 (0.40) GRM1FFAR3CYP2C19
SCHEMBL17893428 0.84 FFAR3 (0.38) GRM1FFAR3CYP2C19AKR1C1
SCHEMBL10015844 0.82 PKM (0.34) GRM1CYP2C19PKML3MBTL1
SCHEMBL3213118 0.82 NPSR1 (0.39) FFAR3LMNAMEN1KMT2A
SCHEMBL478303 0.80 GRM1 (0.40) GRM1FFAR3CYP2C19
SCHEMBL9142496 0.79 GRM1 (0.50) GRM1FFAR3LMNAPKML3MBTL1
SCHEMBL1648486 0.79 GRM1 (0.50) GRM1FFAR3LMNAPKML3MBTL1
SCHEMBL9506878 0.78 CYP2C19 (0.40) GRM1FFAR3CYP2C19SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794120-B1 PEPTIDASE INHIBITORS NUADA LLC (US) 2012-04-11 EP disclosed
US-7842707-B2 Peptidase inhibitors NUADA, LLC (US) 2010-11-30 US disclosed
US-7842707-B2 Peptidase inhibitors NUADA, LLC (US) 2010-11-30 US disclosed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents NUADA, LLC 2008-09-25 US disclosed
US-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents NUADA, LLC 2008-09-25 US disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents DPP3, DPP4, DPP7 GRM1 1369/4885FFAR3 467/4885CYP2C19 1518/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.